SCHEMBL3711207

SCHEMBL3711207

CCOC(=O)C[C@H]1C[C@H]2C[C@@H](C1=O)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
ELANE P08246 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
EPHX2 P34913 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14174367 0.87 HSD17B1 (0.33) HSD17B1KMT2AALOX15L3MBTL1TSHR
SCHEMBL9416064 0.85 BRD4 (0.36) HSD17B10GAAALDH1A1
SCHEMBL14515015 0.82 HSD17B1 (0.32) HSD17B1KMT2AALOX15L3MBTL1TSHR
SCHEMBL14462522 0.82 HSD17B1 (0.32) HSD17B1KMT2AALOX15L3MBTL1TSHR
SCHEMBL14421889 0.81 HSD17B1 (0.32) HSD17B1KMT2AALOX15L3MBTL1EPHX2
SCHEMBL14174366 0.80 HSD17B1 (0.31) HSD17B1
SCHEMBL14186834 0.76 TSHR (0.34) TSHR
SCHEMBL4642556 0.72 MGAM (0.36) HSD17B1KMT2ATSHRHSD17B10POLB
SCHEMBL3705538 0.71 MGAM (0.39) KMT2AALOX15L3MBTL1TSHRHSD17B10
SCHEMBL3705541 0.71 MGAM (0.39) KMT2AALOX15L3MBTL1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-7390926-B2 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 ZACH SYSTEM (IT) 2008-06-24 US disclosed
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 PPG-SIPSY (FR) 2007-09-27 US disclosed
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 PPG-SIPSY (FR) 2007-09-27 US disclosed
EP-1808427-A2 Novel processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-07-18 EP disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed
US-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols HONMA TSUNETOSHI (JP) 2004-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols DOHH, OXER1, XDH HSD17B1 631/4885KMT2A 1324/4885ALOX15 170/4885
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 NOP2, NOP10, NOP56 HSD17B1 211/4885KMT2A 2644/4885ALOX15 500/4885
US-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 HSD17B1 3189/4885KMT2A 432/4885ALOX15 4354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.